Information card for entry 2226966

Structure parameters

• Chemical name: (Butane-1,3-diyne-1,4-diyl)bis(triisopropylsilane)
• Formula: C22 H42 Si2
• Calculated formula: C22 H42 Si2
• SMILES: C(C)(C)[Si](C#CC#C[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C
• Title of publication: (Butane-1,3-diyne-1,4-diyl)bis(triisopropylsilane)
• Authors of publication: Raza Shah, Muhammad; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: o2028
• a: 7.1213 ± 0.001 Å
• b: 7.9057 ± 0.0011 Å
• c: 10.6937 ± 0.0014 Å
• α: 89.139 ± 0.002°
• β: 81.823 ± 0.002°
• γ: 79.449 ± 0.002°
• Cell volume: 585.81 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0549
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1097
• Weighted residual factors for all reflections included in the refinement: 0.1164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes